SCHEMBL565487

SCHEMBL565487

CCCOc1c(Cl)cc(C=O)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
ALDH3A1 P30838 1/20 0.42
ALDH1A3 P47895 1/20 0.42
CYP1A2 P05177 3/20 0.42
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
PLAU P00749 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20108991 0.90 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTHPGDMEN1
SCHEMBL14195844 0.88 S1PR2 (0.50) ALDH1A1KMT2AMAPTHPGDMEN1
SCHEMBL13221149 0.87 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTHPGDMEN1
SCHEMBL30902486 0.85 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTHPGDMEN1
SCHEMBL27339812 0.84 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTHPGDMEN1
SCHEMBL4005149 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTHPGDMEN1
SCHEMBL9097669 0.79 FDPS (0.47) ALDH1A1KMT2AMAPTHPGDMEN1
SCHEMBL4007449 0.79 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTHPGDMEN1
SCHEMBL13261204 0.78 MAPT (0.49) ALDH1A1KMT2AMAPTHPGDMEN1
SCHEMBL20607035 0.78 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTHPGDMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 ALDH1A1 3045/4885KMT2A 2555/4885MAPT 4146/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.